Input 03-xc.gga_x_xpbe.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
gga_x_xpbe Eigenvalue up -9.711060000000000e-01 -9.711455000000000e-01 4.340000000000000e-05 3.949999999997011e-05 PASS
gga_x_xpbe Eigenvalue dn -8.198750000000000e-01 -8.199130000000000e-01 4.180000000000000e-05 3.799999999998249e-05 PASS
gga_x_xpbe Exchange -3.207233000000000e-01 -3.207269800000000e-01 4.040000000000000e-06 3.680000000005901e-06 PASS
gga_x_xpbe Int[n*v_xc] -4.070299200000000e-01 -4.070344200000000e-01 4.930000000000000e-06 4.500000000018378e-06 PASS
Compare to other inputs